CID 182032

31110-62-0

Structural Information

Molecular Formula
C5H13O3PS
SMILES
CCCSP(=O)(O)OCC
InChI
InChI=1S/C5H13O3PS/c1-3-5-10-9(6,7)8-4-2/h3-5H2,1-2H3,(H,6,7)
InChIKey
JHUCCRNKXWBDTO-UHFFFAOYSA-N
Compound name
ethoxy(propylsulfanyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

92
Patents

184.0323 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03958 138.7
[M+Na]+ 207.02152 145.8
[M-H]- 183.02502 136.7
[M+NH4]+ 202.06612 159.1
[M+K]+ 222.99546 144.7
[M+H-H2O]+ 167.02956 131.8
[M+HCOO]- 229.03050 160.7
[M+CH3COO]- 243.04615 177.7
[M+Na-2H]- 205.00697 139.6
[M]+ 184.03175 144.2
[M]- 184.03285 144.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.